5-[bis(carboxymethyl)amino]pentanoic acid

C9H15NO6 — CID 23422745

IUPAC5-[bis(carboxymethyl)amino]pentanoic acid
SMILESO=C(O)CCCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H15NO6/c11-7(12)3-1-2-4-10(5-8(13)14)6-9(15)16/h1-6H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyWVCSSOFQIAPFTO-UHFFFAOYSA-N
MW233.22 g/mol
LogP-0.29
Rot. Bonds9

About 5-[bis(carboxymethyl)amino]pentanoic acid

5-[bis(carboxymethyl)amino]pentanoic acid (PubChem CID 23422745) has the molecular formula C9H15NO6 and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-[bis(carboxymethyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[bis(carboxymethyl)amino]pentanoic acid
PubChem CID23422745
Molecular FormulaC9H15NO6
Molecular Weight233.22 g/mol
Exact Mass233.09
IUPAC Name5-[bis(carboxymethyl)amino]pentanoic acid
SMILESO=C(O)CCCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H15NO6/c11-7(12)3-1-2-4-10(5-8(13)14)6-9(15)16/h1-6H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyWVCSSOFQIAPFTO-UHFFFAOYSA-N
XLogP-0.29
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hexanedioic acid
CID 88599589
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid)
CID 173206314
6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid
CID 82330595
6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid
CID 162681486
6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid
CID 86014416
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
bis(4-[bis(carboxymethyl)amino]butanoic acid);2-[2-[carboxymethyl(ethyl)amino]ethyl-ethylamino]acetic acid;ethanamine
CID 173160493
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid;molecular hydrogen
CID 160537097
CID 176507832
CID 176507832
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598

Frequently Asked Questions

What is the IUPAC name of 5-[bis(carboxymethyl)amino]pentanoic acid?
The IUPAC name of 5-[bis(carboxymethyl)amino]pentanoic acid (CID 23422745) is 5-[bis(carboxymethyl)amino]pentanoic acid.
What is the SMILES notation for 5-[bis(carboxymethyl)amino]pentanoic acid?
The canonical SMILES for 5-[bis(carboxymethyl)amino]pentanoic acid is O=C(O)CCCCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 5-[bis(carboxymethyl)amino]pentanoic acid?
The InChIKey is WVCSSOFQIAPFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6/c11-7(12)3-1-2-4-10(5-8(13)14)6-9(15)16/h1-6H2,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 5-[bis(carboxymethyl)amino]pentanoic acid?
5-[bis(carboxymethyl)amino]pentanoic acid has a molecular weight of 233.22 g/mol, XLogP of -0.29, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(carboxymethyl)amino]pentanoic acid is sourced from PubChem (CID 23422745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).